(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone

C12H15NO2 — CID 10976580

IUPAC(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
SMILESCOc1ccc([11C](=O)N2CCCC2)cc1
InChIInChI=1S/C12H15NO2/c1-15-11-6-4-10(5-7-11)12(14)13-8-2-3-9-13/h4-7H,2-3,8-9H2,1H3/i12-1
InChIKeyQTVNUTRPVMDAJC-DWSYCVKZSA-N
MW204.26 g/mol
LogP1.93
Rot. Bonds2

About (4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone

(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone (PubChem CID 10976580) has the molecular formula C12H15NO2 and a molecular weight of 204.26 g/mol. Its IUPAC name is (4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
PubChem CID10976580
Molecular FormulaC12H15NO2
Molecular Weight204.26 g/mol
Exact Mass204.12
IUPAC Name(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
SMILESCOc1ccc([11C](=O)N2CCCC2)cc1
InChIInChI=1S/C12H15NO2/c1-15-11-6-4-10(5-7-11)12(14)13-8-2-3-9-13/h4-7H,2-3,8-9H2,1H3/i12-1
InChIKeyQTVNUTRPVMDAJC-DWSYCVKZSA-N
XLogP1.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152974
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CID 6467901
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 1289713
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
(4-methoxyphenyl)-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808183
(4-methoxyphenyl)-(4-methylidenepiperidin-1-yl)methanone
CID 10657158
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
(4-methoxyphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292395
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone?
The IUPAC name of (4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone (CID 10976580) is (4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone.
What is the SMILES notation for (4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone?
The canonical SMILES for (4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone is COc1ccc([11C](=O)N2CCCC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone?
The InChIKey is QTVNUTRPVMDAJC-DWSYCVKZSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-11-6-4-10(5-7-11)12(14)13-8-2-3-9-13/h4-7H,2-3,8-9H2,1H3/i12-1.
What are the key properties of (4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone?
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone has a molecular weight of 204.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone is sourced from PubChem (CID 10976580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).